2-[1-(4,5-dimethoxy-2-methyl-phenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(4,5-dimethoxy-2-methyl-phenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-(4,5-dimethoxy-2-methyl-phenyl)sulfonyl-4-piperidyl]-1,3-benzothiazole Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)OC)OC

InChI

InChI=1S/C21H24N2O4S2/c1-14-12-17(26-2)18(27-3)13-20(14)29(24,25)23-10-8-15(9-11-23)21-22-16-6-4-5-7-19(16)28-21/h4-7,12-13,15H,8-11H2,1-3H3